SCHEMBL6613348

SCHEMBL6613348

COCCNc1cc(C)nc2ccc(N)cc12

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.75
NCF1 P14598 3/20 0.71
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 1/20 0.47
GPR35 Q9HC97 1/20 0.45
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
PTGER4 P35408 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6617291 0.78 NQO2 (0.67) NQO2NCF1KDM4EALDH1A1GLA
SCHEMBL5988872 0.77 NQO2 (0.66) NQO2NCF1KDM4EALDH1A1GLA
SCHEMBL13015196 0.74 PTGER4 (0.47) NQO2NCF1ALDH1A1CYP2C19PTGER4
SCHEMBL11311817 0.74 PTGER4 (0.50) NQO2NCF1ALDH1A1CYP2C19RAD52
SCHEMBL6602282 0.74 NQO2 (0.61) NQO2NCF1KDM4EALDH1A1GLA
SCHEMBL14587971 0.73 MEN1 (0.71) NQO2NCF1MEN1KMT2AGPR35
SCHEMBL19407604 0.73 MEN1 (0.71) NQO2NCF1MEN1KMT2AGPR35
SCHEMBL18290253 0.72 NCF1 (0.81) NQO2NCF1MEN1KMT2ACYP2C19
SCHEMBL855211 0.72 PTGER4 (0.51) NQO2NCF1KDM4EALDH1A1GAA
SCHEMBL14587968 0.72 NQO2 (0.71) NQO2NCF1KDM4EALDH1A1GLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed